1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol

C14H10BrClF2O — CID 106941192

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
SMILESCC(O)(c1cccc(Cl)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O/c1-14(19,8-3-2-4-9(16)7-8)12-11(17)6-5-10(15)13(12)18/h2-7,19H,1H3
InChIKeyMDESKVQGFUTQON-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.64
Rot. Bonds2

About 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol

1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol (PubChem CID 106941192) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
PubChem CID106941192
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
SMILESCC(O)(c1cccc(Cl)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O/c1-14(19,8-3-2-4-9(16)7-8)12-11(17)6-5-10(15)13(12)18/h2-7,19H,1H3
InChIKeyMDESKVQGFUTQON-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 106941187
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
1-(3-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 62787274
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938
1-(4-bromo-3-fluorophenyl)-1-phenylethanol
CID 66915422
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol (CID 106941192) is 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol is CC(O)(c1cccc(Cl)c1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol?
The InChIKey is MDESKVQGFUTQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c1-14(19,8-3-2-4-9(16)7-8)12-11(17)6-5-10(15)13(12)18/h2-7,19H,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol?
1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol has a molecular weight of 347.59 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 106941192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).